1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine

C18H21FN2 — CID 67474730

IUPAC1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
InChIKeyXTSNFQQADSBSMV-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.16
Rot. Bonds3

About 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine

1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine (PubChem CID 67474730) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
PubChem CID67474730
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
InChIKeyXTSNFQQADSBSMV-UHFFFAOYSA-N
XLogP3.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-4-methylpiperazine
CID 6726
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 46099721
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
CID 3065514
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 91533912
1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine
CID 115299896
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine (CID 67474730) is 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine is CN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine?
The InChIKey is XTSNFQQADSBSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine?
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine is sourced from PubChem (CID 67474730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).